SCHEMBL696649

SCHEMBL696649

O=Cc1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.48
CTSK P43235 2/20 0.44
P2RX7 Q99572 1/20 0.44
PIM1 P11309 1/20 0.42
PIM3 Q86V86 1/20 0.42
NFKB1 P19838 1/20 0.42
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 2/20 0.40
ERN1 O75460 4/20 0.38
TNF P01375 1/20 0.38
IL6 P05231 1/20 0.38
RORC P51449 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10845853 0.83 CTSS (0.43) CTSSCTSKP2RX7PIM1PIM3
SCHEMBL9340559 0.82 TDP1 (0.38) CTSSCTSKP2RX7PIM1PIM3
SCHEMBL25090393 0.80 P2RX7 (0.44) CTSSCTSKP2RX7NFKB1NOTUM
SCHEMBL6853771 0.79 NFKB1 (0.44) CTSSPIM1PIM3NFKB1MEN1
SCHEMBL67207 0.79 NFKB1 (0.57) PIM1PIM3NFKB1MEN1LMNA
SCHEMBL29417728 0.79 NFKB1 (0.57) PIM1PIM3NFKB1MEN1LMNA
SCHEMBL17894487 0.78 MRGPRX4 (0.47) CTSSCTSKP2RX7KDM4ESMN1; SMN2
SCHEMBL3794351 0.78 TDP1 (0.58) MEN1LMNATHRBBLMKMT2A
SCHEMBL1043059 0.78 P2RX7 (0.57) CTSSCTSKP2RX7TDP1NOTUM
SCHEMBL622545 0.78 ERN1 (0.44) CTSSPIM1PIM3NFKB1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 269 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110003200-A P2X7 regulator 詹森药业有限公司 2019-07-12 CN claimed
EP-3191492-B1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-01-09 EP claimed
CN-105209464-B P2X7 modulators 詹森药业有限公司 2019-01-01 CN claimed
US-6331649-B1 REDUCING AN OXIME BY CATALYTIC HYDROGENTATION IN SOLVENT CONTAINING AN ACID CENTRAL GLASS COMPANY, LIMITED (JP) 2001-12-18 US claimed
EP-0529400-A1 3-(2-Chloro-3-trifluoromethyl)-4-cyanopyrrole, as insecticides BAYER AG (DE) 1993-03-03 EP claimed
EP-0145334-A2 Benzaldehyde derivative and process for its preparation Pfizer Limited (GB) 1985-06-19 EP claimed
JP-5194381-A None JP disclosed
EP-4702005-A1 CNDP2 MODULATORS AND METHODS FOR THEIR USE Metabolon Inc. (US) 2026-03-04 EP disclosed
US-12338243-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-06-24 US disclosed
US-20250120927-A1 CNDP2 MODULATORS AND METHODS FOR THEIR USE METABOLON INC. 2025-04-17 US disclosed
US-12247027-B2 P2X7 modulators JANSSEN PHARMACEUTICA NV (BE) 2025-03-11 US disclosed
WO-2024227056-A1 CNDP2 MODULATORS AND METHODS FOR THEIR USE METABOLON INC. (US) 2024-10-31 WO disclosed
US-20240116930-A1 P2X7 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-04-11 US disclosed
EP-0145334-A2 Benzaldehyde derivative and process for its preparation Pfizer Limited (GB) 1985-06-19 EP disclosed
EP-0125803-A2 Pharmaceutically active dihydropyridines FISONS plc (GB) 1984-11-21 EP disclosed
EP-0116769-A1 Dihydropyridines Pfizer Limited (GB) 1984-08-29 EP disclosed
US-4224340-A Anti-inflammatory compositions containing α-phenyl-N-phenylnitrone compounds WILLIAM H. RORER, INC. (US) 1980-09-23 US disclosed
US-4214003-A ANTIINFLAMMATORY AGENTS WILLIAM H. RORER, INC. (US) 1980-07-22 US disclosed
US-4197314-A WITH A DIPHENYL NITRONE WILLIAM H. RORER, INC. (US) 1980-04-08 US disclosed
US-4153722-A ANTIINFLAMMATORY, A-PHENYL-N-PHENYLNITRONE WILLIAM H. RORER, INC. (US) 1979-05-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-12247027-B2 P2X7 modulators P2RX2, P2RX7, P2RY2 CTSS 2569/4885CTSK 1661/4885P2RX7 2/4885
US-12338243-B2 P2X7 modulators P2RX7, P2RX4, P2RX1 CTSS 2298/4885CTSK 1472/4885P2RX7 1/4885
US-20250120927-A1 CNDP2 MODULATORS AND METHODS FOR THEIR USE CNDP2, DPP7, DPEP1 CTSS 427/4885CTSK 1454/4885P2RX7 2232/4885
US-20240116930-A1 P2X7 MODULATORS P2RX2, P2RX7, P2RY2 CTSS 2569/4885CTSK 1661/4885P2RX7 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.